8G2L
 
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4Z59
 | | HipB-O4 20mer complex | | Descriptor: | Antitoxin HipB, DNA (5'-D(*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*AP*A)-3') | | Authors: | Min, J, Brennan, R.G, Schumacher, M.A. | | Deposit date: | 2015-04-02 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular mechanism on hipBA gene regulation.
To be published
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6XKP
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-270 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-270 Heavy Chain, CV07-270 Light Chain, ... | | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | | Deposit date: | 2020-06-26 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model.
Cell, 183, 2020
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8G41
 | | Horse liver alcohol dehydrogense His-51-Gln form complexed with NADH | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Plapp, B.V. | | Deposit date: | 2023-02-08 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Histidine-51 facilitates deprotonatation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
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1KB2
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8G5E
 | | Crystal Structure of SETDB1 Tudor domain in complex with UNC6535 | | Descriptor: | Histone-lysine N-methyltransferase SETDB1, N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine, UNKNOWN ATOM OR ION | | Authors: | Beldar, S, Dong, A, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-13 | | Release date: | 2023-02-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal Structure of SETDB1 Tudor domain in complex with UNC6535
To be published
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8G22
 | | Crystal Structure of the dTDP-4-dehydrorhamnose Reductase from Streptococcus pneumoniae. | | Descriptor: | dTDP-4-dehydrorhamnose reductase | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2023-02-03 | | Release date: | 2023-02-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystal Structure of the dTDP-4-dehydrorhamnose Reductase from Streptococcus pneumoniae.
To Be Published
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8G1Y
 | | Crystal Structure of the Threonine Synthase from Streptococcus pneumoniae in complex with Pyridoxal 5-phosphate. | | Descriptor: | CHLORIDE ION, D-MALATE, GLYCEROL, ... | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2023-02-03 | | Release date: | 2023-02-15 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal Structure of the Threonine Synthase from Streptococcus pneumoniae in complex with Pyridoxal 5-phosphate.
To Be Published
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8G4V
 | | Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | | Authors: | Plapp, B.V, Subramanian, R. | | Deposit date: | 2023-02-10 | | Release date: | 2023-02-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Histidine-51 facilitates deprotonation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
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8G28
 | | Crystal Structure of the C-terminal Fragment of AAA ATPase from Streptococcus pneumoniae. | | Descriptor: | ATPase, AAA family, CHLORIDE ION | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2023-02-03 | | Release date: | 2023-02-15 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of the C-terminal Fragment of AAA ATPase from Streptococcus pneumoniae.
To Be Published
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8G62
 | | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 | | Descriptor: | 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2023-02-14 | | Release date: | 2023-02-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004
To Be Published
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8G2X
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6XRM
 | | Crystal structure of human PI3K-gamma in complex with Compound 4 | | Descriptor: | 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Walker, N.P, Jeffrey, J.L. | | Deposit date: | 2020-07-13 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Discovery of Potent and Selective PI3K gamma Inhibitors.
J.Med.Chem., 63, 2020
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8G2S
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8G39
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6XPC
 | | Structure of human GGT1 in complex with full GSH molecule | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTATHIONE, ... | | Authors: | Terzyan, S.S, Hanigan, M. | | Deposit date: | 2020-07-08 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structures of glutathione- and inhibitor-bound human GGT1: critical interactions within the cysteinylglycine binding site.
J.Biol.Chem., 296, 2020
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6X7M
 | | LnmK in complex with 2-nitronate-propionyl-oxa(dethia)-CoA | | Descriptor: | Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Stunkard, L.M, Kick, B.J, Lohman, J.R. | | Deposit date: | 2020-05-30 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
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6X7U
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4XNR
 | | Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized by Position-selective Labeling of RNA (PLOR), in Complex with Adenine | | Descriptor: | ADENINE, MAGNESIUM ION, Vibrio Vulnificus Adenine Riboswitch | | Authors: | Zhang, J, Liu, Y, Wang, Y.-X, Ferre-D'Amare, A.R. | | Deposit date: | 2015-01-16 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Synthesis and applications of RNAs with position-selective labelling and mosaic composition.
Nature, 522, 2015
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6XBK
 | | Structure of human SMO-G111C/I496C complex with Gi | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Qi, X, Long, T, Li, X. | | Deposit date: | 2020-06-06 | | Release date: | 2020-09-30 | | Last modified: | 2020-11-25 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Sterols in an intramolecular channel of Smoothened mediate Hedgehog signaling.
Nat.Chem.Biol., 16, 2020
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6XRL
 | | Crystal structure of human PI3K-gamma in complex with inhibitor IPI-549 | | Descriptor: | 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Walker, N.P, Jeffrey, J.L. | | Deposit date: | 2020-07-13 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Discovery of Potent and Selective PI3K gamma Inhibitors.
J.Med.Chem., 63, 2020
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6XSB
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6XSF
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6XCG
 | | Histone-lysine N-methyltransferase NSD2-PWWP1 with compound UNC6934 | | Descriptor: | Histone-lysine N-methyltransferase NSD2, N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide, UNKNOWN ATOM OR ION | | Authors: | Zhou, M.Q, Dong, A, Ingerman, L.A, Hanley, R.P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-06-08 | | Release date: | 2020-07-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.
Nat.Chem.Biol., 18, 2022
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6XVD
 | | Crystal structure of complex of urokinase and a upain-1 variant(W3F) in pH7.4 condition | | Descriptor: | Urokinase-type plasminogen activator, upain-1-W3F | | Authors: | Xue, G.P, Xie, X, Zhou, Y, Yuan, C, Huang, M.D, Jiang, L.G. | | Deposit date: | 2020-01-21 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Insight to the residue in P2 position prevents the peptide inhibitor from being hydrolyzed by serine proteases.
Biosci.Biotechnol.Biochem., 84, 2020
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